[3-methyl-5-(methylamino)-1,2-oxazol-4-yl]-phenylmethanone

C12H12N2O2 — CID 121001224

IUPAC[3-methyl-5-(methylamino)-1,2-oxazol-4-yl]-phenylmethanone
SMILESCNc1onc(C)c1C(=O)c1ccccc1
InChIInChI=1S/C12H12N2O2/c1-8-10(12(13-2)16-14-8)11(15)9-6-4-3-5-7-9/h3-7,13H,1-2H3
InChIKeyFNLKRLANFDDWGK-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.26
Rot. Bonds3

About [3-methyl-5-(methylamino)-1,2-oxazol-4-yl]-phenylmethanone

[3-methyl-5-(methylamino)-1,2-oxazol-4-yl]-phenylmethanone (PubChem CID 121001224) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is [3-methyl-5-(methylamino)-1,2-oxazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-methyl-5-(methylamino)-1,2-oxazol-4-yl]-phenylmethanone
PubChem CID121001224
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name[3-methyl-5-(methylamino)-1,2-oxazol-4-yl]-phenylmethanone
SMILESCNc1onc(C)c1C(=O)c1ccccc1
InChIInChI=1S/C12H12N2O2/c1-8-10(12(13-2)16-14-8)11(15)9-6-4-3-5-7-9/h3-7,13H,1-2H3
InChIKeyFNLKRLANFDDWGK-UHFFFAOYSA-N
XLogP2.26
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
(4-methyl-1,2,5-oxadiazol-3-yl)-phenylmethanone
CID 13415356
N-(3-methyl-4-phenyl-1,2-oxazol-5-yl)acetamide
CID 14174108
2-(3,5-dimethyl-1,2-oxazole-4-carbonyl)benzoic acid
CID 46398466
[(1S)-2-oxo-1,2-diphenylethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 7547612
diphenylmethanone;ethane
CID 158014879
3-[(3,4-dimethyl-1,2-oxazol-5-yl)carbamoyl]benzoic acid
CID 65482154
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-phenylmethanone
CID 2805168
diphenylmethanone
CID 3102
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-phenylmethanone
CID 18074313
(3,6-dimethyl-4-oxido-[1,2]oxazolo[4,5-b]pyridin-4-ium-5-yl)-phenylmethanone
CID 10858475
(4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone
CID 86183747

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(methylamino)-1,2-oxazol-4-yl]-phenylmethanone?
The IUPAC name of [3-methyl-5-(methylamino)-1,2-oxazol-4-yl]-phenylmethanone (CID 121001224) is [3-methyl-5-(methylamino)-1,2-oxazol-4-yl]-phenylmethanone.
What is the SMILES notation for [3-methyl-5-(methylamino)-1,2-oxazol-4-yl]-phenylmethanone?
The canonical SMILES for [3-methyl-5-(methylamino)-1,2-oxazol-4-yl]-phenylmethanone is CNc1onc(C)c1C(=O)c1ccccc1.
What is the InChIKey of [3-methyl-5-(methylamino)-1,2-oxazol-4-yl]-phenylmethanone?
The InChIKey is FNLKRLANFDDWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-10(12(13-2)16-14-8)11(15)9-6-4-3-5-7-9/h3-7,13H,1-2H3.
What are the key properties of [3-methyl-5-(methylamino)-1,2-oxazol-4-yl]-phenylmethanone?
[3-methyl-5-(methylamino)-1,2-oxazol-4-yl]-phenylmethanone has a molecular weight of 216.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(methylamino)-1,2-oxazol-4-yl]-phenylmethanone is sourced from PubChem (CID 121001224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).